CID 231074

7148-05-2

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CCOC(=O)CCN1CCN(CC1)C

InChI

InChI=1S/C10H20N2O2/c1-3-14-10(13)4-5-12-8-6-11(2)7-9-12/h3-9H2,1-2H3

InChIKey

WQLYUEPNQYYYIH-UHFFFAOYSA-N

Compound name

ethyl 3-(4-methylpiperazin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 200.15248 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	201.15976	148.1
[M+Na]+	223.14170	157.8
[M+NH4]+	218.18630	154.8
[M+K]+	239.11564	152.4
[M-H]-	199.14520	147.8
[M+Na-2H]-	221.12715	151.3
[M]+	200.15193	149.0
[M]-	200.15303	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe